Search

Your search keyword '"Yan-shui, Zhou"' showing total 6 results
Start Over Author "Yan-shui, Zhou"
6 results on '"Yan-shui, Zhou"'

1. 4,9,12,15-Tetraoxa-3,5,8,10,14,16-hexaazatetracyclo[11.3.0.02,6.07,11]hexadeca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate

Author

Bo-Zhou Wang, Yan-Shui Zhou, and Kang-Zhen Xu

Subjects
Crystallography, QD901-999
Abstract

The organic molecule in the title monohydrate, C6N6O5·H2O, presents an almost planar configuration, the greatest deviation from the least-squares plane through the atoms being 0.061 (1) Å for the O atom within the seven-membered ring. Each water H atom is bifurcated, one forming two O—H...N hydrogen bonds and the other forming O—H...N,O hydrogen bonds. The result of the hydrogen bonding is the formation of supramolecular layers with a zigzag topology that stack along [001].

Published
2012
Full Text
View/download PDF

4. Krystalová morfologie 3,4-bis(3-nitrofurazan-4-yl)furoxanu (DNTF) v rozpuštědlovém systému: molekulárně-dynamická simulace a studium citlivosti

Author

Yan-shui Zhou, Svatopluk Zeman, Ya-nan Li, Ning Liu, Bozhou Wang, Qiang-li Zhao, Yuanjie Shu, and Wenliang Wang

Subjects
stabilita, Diffusion, 02 engineering and technology, thermal sensitivity, 010402 general chemistry, Radial distribution function, 01 natural sciences, 3,4-dinitrofurazanfuroxan, Crystal, Molecular dynamics, chemistry.chemical_compound, rozklad, growth-morphology, Molecule, Organic chemistry, General Materials Science, habit controlling factor, Solubility, růstová morfologie, decomposition, Chemistry, attachment energy, solubility, Furoxan, temperature, predikce, General Chemistry, prediction, habit controlling-faktor, stability, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, rozpustnost, Solvent, DNTF, Physical chemistry, tepelná citlivost, 0210 nano-technology, dodatečná energie, teplota
Abstract

Herein, the attachment energy (AE) model was employed to study the growth morphology of 3,4-bis(3-nitrofurazan-4-yl) furoxan (DNTF) under vacuum and solvent conditions by molecular dynamics simulation. The DNTF crystals were cultivated in H2O/acetic acid (AcOH) and H2O/EtOH solvents by natural cooling. The calculated results show that the (0 1 1) and (0 0 1) faces have large morphological importance in these two solvent systems, and the predicted DNTF morphologies agree qualitatively with those of the observed experimental results. Radial distribution function (RDF) and diffusion coefficient analyses were performed to explore the adsorption and diffusion behaviors of solvent molecules on DNTF surfaces. Furthermore, the impact and friction sensitivities of different crystal morphologies of DNTF were also tested and discussed. Results suggest that crystal morphology is an important impact factor for controlling the sensitivity of explosives. V tomto dokumentu, byl použit model azebné energie (AE) ke studiu morfologie růstu 3,4-bis (3-nitrofurazan-4-yl) furoxanu (DNTF) za sníženého tlaku a v rozpouštědle podmínek simulace molekulární dynamikou. DNTF krystaly byly kultivovány v H2O / kyselina octová (AcOH) a H 2O / EtOH rozpouštědlových systémech s přirozeným chlazením. Vypočtené výsledky ukazují, že (1 0 1) a (0 0 1) plochy mají velký morfologický význam v těchto dvou systémech rozpouštědel, a předpokládané DNTF morfologie se shodují s těmi, které jsou kvalitativně získanév experimentálně. Analýzami radiální distribuční funkce (RDF) a difúzního koeficientu bylo zkoumáno adsorpční a difúzní chování molekul rozpouštědla na DNTF povrchu. Kromě toho byly také testovány a diskutovány nárazové a třecí citlivosti různých krystalických morfologií DNTF. Výsledky naznačují, že krystalová morfologie je důležitým faktorem pro řízení citlivosti výbušnin.

Published
2016

5. Estimation of the Kinetic Parameters and the Critical Rate of Temperature Rise in the Thermal Explosion from the Exothermic Autocatalytic Decomposition of 3,4-Bis(4′-nitrofurazan-3′-yl)-2-oxofurazan (BNFOF) Using Non-isothermal Differential Scanning Calorimetry

Author

Fengqi Zhao, Gui-E Lu, Yan-Shui Zhou, Yang Luo, Qin Xiao, Zhi-Ming Xia, Pei Chen, Rong-Zu Hu, Qi-Zhen Shi, Hongxu Gao, Zhi-Zhong Zhang, Peng-Jiang Guo, Hong-An Zhao, Hai Zhang, Shengli Gao, and Jin-Yong Jiang

Subjects
Exothermic reaction, Autocatalysis, Differential scanning calorimetry, Chemistry, Thermodynamics, Physical chemistry, Thermal explosion, General Chemistry, Rate equation, Kinetic energy, Decomposition, Isothermal process
Abstract

A method of estimating the kinetic parameters and the critical rate of temperature rise in the thermal explosion for the autocatalytic decomposition of 3,4-bis(4′-nitrofurazan-3′-yl)-2-oxofurazan (BNFOF) with non-isothermal differential scanning calorimetry (DSC) was presented. The rate equation for the decomposition of BNFOF was established, and information was obtained on the rate of temperature increase in BNFOF when the empiric-order autocatalytic decomposition was converted into thermal explosion.

Published
2006

6. 4,9,12,15-Tetra-oxa-3,5,8,10,14,16-hexa-aza-tetra-cyclo-[11.3.0.0.0]hexa-deca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate

Author

Yan-Shui, Zhou, Bo-Zhou, Wang, and Kang-Zhen, Xu

Subjects
Organic Papers
Abstract

The organic mol-ecule in the title monohydrate, C(6)N(6)O(5)·H(2)O, presents an almost planar configuration, the greatest deviation from the least-squares plane through the atoms being 0.061 (1) Å for the O atom within the seven-membered ring. Each water H atom is bifurcated, one forming two O-H⋯N hydrogen bonds and the other forming O-H⋯N,O hydrogen bonds. The result of the hydrogen bonding is the formation of supra-molecular layers with a zigzag topology that stack along [001].

Published
2011

Catalog

Books, media, physical & digital resources
See catalog results